Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
Si, Al-Si-Mg-Cu-Fe, Au-Si, Si-U
Silicon (Si)M.I. Baskes, "Modified embedded-atom potentials for cubic materials and impurities," Phys. Rev. B 46, 2727-2742 (1992). DOI: 10.1103/PhysRevB.46.2727
Notes: This file was sent by Mike Baskes (Los Alamos National Laboratory) and posted on 29 Jan. 2010. It includes the MEAM parameters, papers with additional information, and various property evaluations.
Format: MEAM parameters
Aluminum, Silicon, Magnesium, Copper, and Iron (Al, Si, Mg, Cu, and Fe) AlloysB. Jelinek, S. Groh, M. Horstemeyer, J. Houze, S.G. Kim, G.J. Wagner, A. Moitra, and M.I. Baskes, "Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys," Phys. Rev. B 85, 245102 (2012). DOI: 10.1103/PhysRevB.85.245102
Notes: This file was sent by Bohumir Jelinek (Mississippi State University) and posted on 3 July 2012. He noted, "This is a MEAM potential for Al, Si, Mg, Cu, Fe alloys. It works with LAMMPS, version 19 Jul 2011 or later, when compiled with MEAM support. Most of the MEAM potential results presented in the accompanying paper can be reproduced with Atomistic Simulation Environment (ASE) and testing routines provided in ase-atomistic-potential-tests-rev60.tar.gz"
Format: MEAM parameters
New! Computed Properties: 2012--Jelinek-B--Al-Si-Mg-Cu-Fe
Gold-Silicon (Au-Si) Alloys, Compounds, and MixturesStarikov, S. V., Lopanitsyna, N. Y., Smirnova, D. E., & Makarov, S. V. (2018). Atomistic simulation of Si-Au melt crystallization with novel interatomic potential. Computational Materials Science, 142, 303–311. DOI: 10.1016/j.commatsci.2017.09.054
Notes: These files were sent by Dr. Sergey Starikov (Joint Institute for High Temperatures, Russia) on 6 November 2017 and posted with his permission.
Format: ADP Table
Silicon-Uranium System (Si-U)Beeler, B., Baskes, M., Andersson, D., Cooper, M. W. D., & Zhang, Y. (2017). A modified Embedded-Atom Method interatomic potential for uranium-silicide. Journal of Nuclear Materials, 495, 267–276. DOI: 10.1016/j.jnucmat.2017.08.025
Notes: These files were sent by B. Beeler (Idaho National Laboratory) on 21 Mar. 2018 and posted with his permission. Dr. Beeler noted that the provided MEAM parameter files also require the use of a MEAM modification file to be compiled with LAMMPS.
Format: MEAM parameters and MEAM modification file to be compiled with LAMMPS
Date created: October 5, 2010 | Last updated: May 17, 2018